SCHEMBL828463

SCHEMBL828463

NC(=O)Cc1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.58
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
AKR1B1 P15121 1/20 0.36
LMNA P02545 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CNR1 P21554 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28782346 0.98 CA2 (0.56) CA2KDM4EALDH1A1CES2CES1
SCHEMBL11290860 0.82 CA2 (0.80) CA2KDM4EALDH1A1CES2CES1
SCHEMBL238714 0.78 AKR1B1 (0.61) CA2KDM4EALDH1A1CES2CES1
Water SCHEMBL27968188 0.78 CES1 (0.61) CA2ALDH1A1CES2CES1AKR1B1
SCHEMBL10822384 0.77 CAPN1 (0.50) CA2KDM4EALDH1A1LMNATDP1
SCHEMBL21381425 0.76 CES1 (0.36) CA2ALDH1A1CES2CES1AKR1B1
Water SCHEMBL28074006 0.76 CA2 (0.95) CA2
SCHEMBL1948319 0.76 HTR3E (0.44) CA2
SCHEMBL4933643 0.76 POLB (0.47) CA2ALDH1A1CES2CES1AKR1B1
SCHEMBL28862196 0.76 HDAC1 (0.45) ALDH1A1LMNAADRA1ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 394 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230084927-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF METABOMED LTD. (IL) 2023-03-16 US claimed
WO-2021095032-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF METABOMED LTD (IL) 2021-05-20 WO claimed
EP-3630115-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS University Of Virginia Patent Foundation (US) 2020-04-08 EP claimed
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US claimed
WO-2018217757-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-11-29 WO claimed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US claimed
CN-108383828-A 1 new, 2- as chemokine receptor modulators is bis--sulfamide derivative 阿勒根公司 2018-08-10 CN claimed
CN-106049176-B The surface sizing technique of high-strength corrugating medium 东莞顺裕纸业有限公司 2018-04-03 CN claimed
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US claimed
US-9682940-B2 Indazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US claimed
EP-0362908-A2 1,4-Dihydropyridine dicarboxylic acid derivatives ZAMBON GROUP S.p.A. (IT) 1990-04-11 EP claimed
EP-0193227-B1 PROCESS FOR THE PREPARATION OF ARYLGLYCIDYL ETHERS AND 3-SUBSTITUTED 1-ALKYLAMINO-2-PROPANOLS GIST-BROCADES N.V. (NL) 1990-04-11 EP claimed
EP-0352863-A2 1,4-Dihydropyridine dicarboxylic acid derivatives ZAMBON GROUP S.p.A. (IT) 1990-01-31 EP claimed
EP-0333938-A1 2-Hydroxy-3-aryloxy-propylamine derivatives having cardiovascular activity ZAMBON GROUP S.p.A. (IT) 1989-09-27 EP claimed
EP-0334164-A2 Antihypertensive combination preparation F. HOFFMANN-LA ROCHE AG (CH) 1989-09-27 EP claimed
EP-0193227-A1 Process for the preparation of arylglycidyl ethers and 3-substituted 1-alkylamino-2-propanols GIST-BROCADES N.V. (NL) 1986-09-03 EP claimed
EP-0057572-B1 ALKANOLAMINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-31 EP claimed
US-4363808-A N-(3-Phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1982-12-14 US claimed
US-4287194-A Compositions with potentiated hypotensive effects RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1981-09-01 US claimed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CA2 1286/4885KDM4E 3213/4885ALDH1A1 528/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CA2 1288/4885KDM4E 3224/4885ALDH1A1 517/4885
US-20230084927-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF SLC2A4, SLC2A1, SLC2A2 CA2 554/4885KDM4E 2887/4885ALDH1A1 1014/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.